[1-(3,6-dimethylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(3,6-dimethylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Openeye Name: [1-(3,6-dimethyl-2-pyridyl)phenoxazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(3,6-dimethylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(3,6-dimethyl-2-pyridyl)phenoxazin-10-yl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON1C2=CC=CC=C2OC3=CC=CC(=C31)C4=C(C=CC(=N4)C)C

Isomeric SMILES

CCCS(=O)(=O)ON1C2=CC=CC=C2OC3=CC=CC(=C31)C4=C(C=CC(=N4)C)C

InChI

InChI=1S/C22H22N2O4S/c1-4-14-29(25,26)28-24-18-9-5-6-10-19(18)27-20-11-7-8-17(22(20)24)21-15(2)12-13-16(3)23-21/h5-13H,4,14H2,1-3H3